Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27519680 | 0.68 | PTPN1 (0.39) | CHRM3KDM4EALDH1A1TSHRLMNA | |
| SCHEMBL27751908 | 0.68 | CHRM3 (0.44) | CHRM3KDM4EALDH1A1TSHRLMNA | |
| SCHEMBL24806520 | 0.67 | CHRM3 (0.43) | CHRM3KDM4EALDH1A1TSHRLMNA | |
| SCHEMBL5906945 | 0.66 | PTPN1 (0.50) | CHRM3KDM4EALDH1A1TSHRLMNA | |
| SCHEMBL19852053 | 0.66 | CHRM3 (0.35) | CHRM3KDM4EALDH1A1TSHRLMNA | |
| SCHEMBL5798986 | 0.64 | — | — | |
| SCHEMBL21547920 | 0.63 | CHRM3 (0.40) | CHRM3ALDH1A1TSHRLMNACHRM2 | |
| SCHEMBL15515022 | 0.63 | CHRM3 (0.43) | CHRM3KDM4EALDH1A1TSHRLMNA | |
| SCHEMBL29107802 | 0.62 | NPSR1 (0.33) | KDM4EALDH1A1TSHRNPSR1MAPK1 | |
| SCHEMBL10431184 | 0.62 | CHRM3 (0.50) | CHRM3KDM4EALDH1A1TSHRLMNA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110678459-B | 2-heteroaryl-3-oxo-2, 3-dihydropyridazine-4-carboxamides for the treatment of cancer | 拜耳股份公司 | 2023-04-04 | — | — | CN | claimed |
| CN-114786674-A | Combination of an AHR inhibitor and a PD1 inhibitor antibody and use thereof in the treatment of cancer | 拜耳公司 | 2022-07-22 | — | — | CN | claimed |
| CN-114786674-A | Combination of an AHR inhibitor and a PD1 inhibitor antibody and use thereof in the treatment of cancer | 拜耳公司 | 2022-07-22 | — | — | CN | disclosed |
| WO-2022111708-A1 | DEUTERATED 2-ARYLHETEROCYCLE-3-OXO-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDE INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 苏州泽璟生物制药股份有限公司 | 2022-06-02 | — | — | WO | disclosed |